4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(4-methylphenyl)butanamide
Chemical Structure Depiction of
4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(4-methylphenyl)butanamide
4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(4-methylphenyl)butanamide
Compound characteristics
| Compound ID: | C664-0043 |
| Compound Name: | 4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(4-methylphenyl)butanamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | Cc1ccc(cc1)NC(CCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8274 |
| logD: | 2.8273 |
| logSw: | -3.4543 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.948 |
| InChI Key: | KLIUBMOATADAIL-UHFFFAOYSA-N |